C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,51.67,s,
N,5,,,
C,6,62.1,s,
C,7,38.34,s,
C,8,41.86,s,
C,9,171.07,s,
N,10,,,
C,11,131.02,s,
C,12,145.76,s,
O,13,,,
C,14,55.97,s,
C,15,99.39,s,
C,16,153.05,s,
O,17,,,
C,18,56.22,s,
C,19,145.43,s,
O,20,,,
C,21,60.98,s,
C,22,130.1,s,
O,23,,,
C,24,70.43,s,
C,25,40.4,s,
C,26,42.38,s,
C,27,24.51,s,
C,28,64.27,s,
H,29,1.67,d,7.0
H,30,1.67,d,7.0
H,31,1.67,d,7.0
H,32,5.45,q,7.0
H,33,3.82,s,
H,34,3.82,s,
H,35,3.6,ddd,"8.6,6.9,1.1"
H,36,2.15,dd,"12.4,6.9"
H,37,2.15,dd,"12.4,1.1"
H,38,3.85,s,
H,39,3.85,s,
H,40,3.85,s,
H,41,6.51,s,
H,42,3.85,s,
H,43,3.85,s,
H,44,3.85,s,
H,45,3.84,s,
H,46,3.84,s,
H,47,3.84,s,
H,48,4.04,dd,"13.4,1.5"
H,49,4.04,dd,"13.4,3.7"
H,50,2.83,m,
H,51,2.99,ddd,"7.4,2.0,1.7"
H,52,2.11,ddd,"12.4,8.8,2.0"
H,53,2.11,ddd,"12.4,7.4,0.5"
H,54,3.78,dd,"8.8,0.5"
